Materials Data on Ag2C4Br3N by Materials Project
Ag2Br3C4N crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four C4N clusters and two Ag2Br3 ribbons oriented in the (1, 0, 0) direction. In each C4N cluster, there are three inequivalent C1+ sites. In the first C1+ site, C1+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.44 Å. In the second C1+ site, C1+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.57 Å. In the third C1+ site, C1+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.69 Å. N3- is bonded in a 4-coordinate geometry to four C1+ atoms. In each Ag2Br3 ribbon, Ag1+ is bonded to four Br1- atoms to form a mixture of distorted edge and corner-sharing AgBr4 tetrahedra. There are a spread of Ag–Br bond distances ranging from 2.58–2.93 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 4-coordinate geometry to four equivalent Ag1+ atoms. In the second Br1- site, Br1- is bonded in an L-shaped geometry to two equivalent Ag1+ atoms. In the third Br1- site, Br1- is bonded in an L-shaped geometry to two equivalent Ag1+ atoms.